4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide

C19H26ClN3O3 — CID 110306289

IUPAC4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-2-22-11-13-23(14-12-22)19(26)9-10-21-18(25)8-7-17(24)15-3-5-16(20)6-4-15/h3-6H,2,7-14H2,1H3,(H,21,25)
InChIKeyFFYRQIBZSFDOJF-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.97
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide (PubChem CID 110306289) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
PubChem CID110306289
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CCC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-2-22-11-13-23(14-12-22)19(26)9-10-21-18(25)8-7-17(24)15-3-5-16(20)6-4-15/h3-6H,2,7-14H2,1H3,(H,21,25)
InChIKeyFFYRQIBZSFDOJF-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
CID 110306300
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(3-chlorophenyl)-4-oxobutanamide
CID 110427133
1-(4-chlorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]butane-1,4-dione
CID 112765530
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide (CID 110306289) is 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide is CCN1CCN(C(=O)CCNC(=O)CCC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide?
The InChIKey is FFYRQIBZSFDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-2-22-11-13-23(14-12-22)19(26)9-10-21-18(25)8-7-17(24)15-3-5-16(20)6-4-15/h3-6H,2,7-14H2,1H3,(H,21,25).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide has a molecular weight of 379.89 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide is sourced from PubChem (CID 110306289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).